SCHEMBL5286989

SCHEMBL5286989

CCCCn1nnc(CCC)c1Br

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.47
SLC9A1 P19634 4/20 0.41
TOP2A P11388 1/20 0.39
HCAR3 P49019 2/20 0.34
GABRB3 P28472 1/20 0.33
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CSNK2A2 P19784 2/20 0.31
CSNK2B P67870 2/20 0.31
CSNK2A1 P68400 2/20 0.31
CSNK2A3 Q8NEV1 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5280418 0.93 SLC9A1 (0.44) GRM2SLC9A1TOP2AHCAR3GABRB3
SCHEMBL5277061 0.93 GRM2 (0.47) GRM2SLC9A1TOP2AHCAR3HTT
SCHEMBL5279790 0.89 GRM2 (0.45) GRM2SLC9A1TOP2AHCAR3GABRB3
SCHEMBL5273503 0.87 GRM2 (0.45) GRM2SLC9A1TOP2AHCAR3HTT
SCHEMBL5273703 0.86 SLC9A1 (0.44) GRM2SLC9A1TOP2AHCAR3LMNA
SCHEMBL5280655 0.85 GRM2 (0.42) GRM2SLC9A1TOP2AMAOB
SCHEMBL5278727 0.82 GRM2 (0.41) GRM2SLC9A1TOP2AGABRB3KMT2A
SCHEMBL5275375 0.81 GRM2 (0.41) GRM2SLC9A1TOP2AHCAR3CSNK2A2
SCHEMBL5282477 0.81 GRM2 (0.41) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5280118 0.80 SLC9A1 (0.45) GRM2SLC9A1TOP2AHCAR3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed